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yichenliu金虫 (正式写手)
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【讨论】有人参加School of SIESTA in Barcelona on May 19th吗
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如果有人参加,希望把相关的材料共享一下. Subject: School of SIESTA in Barcelona on May 19th Category: Event From: Jose A. Torres Date: 29-Apr-2009 15:05 Message: Dear all: The SIESTA Team together with the Catalonia Supercomputing Center(CESCA), are sponsoring a School of SIESTA to be held from May 19th to May 22nd of 2009 in Barcelona. For the first time in a SIESTA Course, we will introduce our SIESTA version 3.0 (not released yet) which includes the ability to compute Quantum Electron Transport, among other good new features. There is a limited number of places (50), so if you are interested please register soon! For more details see the information below, Yours The SIESTA Team ===== Announcement: Introductory course of SIESTA. Sponsored by: SIESTA and Centre de Supercomputacio de Catalunya (CESCA) Conveyed by: The SIESTA Team. --- SIESTA Course. Introductory. ============================ * Scope: Basic theoretical introduction combined with practice sessions. Including: - The theory behind SIESTA: DFT, Quantum transport. - Hands-on practical sessions: Basic set up, computation and analysis techniques with SIESTA. * Intended audience: People with knowledge of quantum mechanics, some notions of basic solid state physics, and good ability with computer data handling. * Conveyed by: The SIESTA Team. SUMMARY OF CONTENTS =================== Topics covered include: * The theory behind SIESTA: - From basic Quantum Mechanics, to Atomic, to Solid State Physics - Basic Density Functional Theory, the Self Consistent Field Loop. - Quantum Conduction through molecular scale contacts. * The SIESTA Method: - The SIESTA basis sets. - Order-N. - Applicability of the method. * Hands-on practical sessions. Basic techniques with SIESTA: * Setting up systems (choosing the theoretical model and the configuration): - Setting up different configurations: - Molecules, - Chains, - Slabs, - Bulks, - Open systems. - Choosing the theoretical model framework (exchange and correlation functional, computing and using pseudopotentials, ... ) * Setting up computation-related parameters: - Convergence related general parameters. - Parameters that affect the computation accuracy for molecules, periodic, and open systems. - Tuning parameters that can speed up convergence. * Analyzing the output: Numerically and graphically. - Energies, - Forces, - Electronic density, - Conductance and transmission spectrum, - Mulliken populations, - Magnetic polarization, - Electrical dipole, - Band structures, - ... PRACTICAL INFORMATION ====================== - Dates: From the 19th to the 22nd of May 2009 - Place: Centre de Supercomputacio de Catalunya (CESCA). C/ Gran Capita, s/n (Ed. Annexus) http://www.cesca.cat/en/on - Registration Fee: 75 Eur (VAT included. Includes course material: Folders, pen-drive with software and all course-related files, coffee breaks. Does not include accommodation). - Suggested to bring your laptop: Minimum system requirements: 1 GB of RAM, OS: Linux, WindowsXP or Mac (preferably Linux). - Registration: http://www.cesca.cat/siesta - Information: promocio@cesca.cat , 932056464 siesta@uam.es , 914973805 |
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